3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one;4-ethyl-2-methyl-2-(2-methylbuta-1,3-dienyl)-5-methylidenethiophen-3-ol;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[4-(4-methylphenyl)butyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[2-(4-methylphenyl)ethyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-propylthiophen-2-one | CAS No. 70131-50-9

3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one;4-ethyl-2-methyl-2-(2-methylbuta-1,3-dienyl)-5-methylidenethiophen-3-ol;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[4-(4-methylphenyl)butyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[2-(4-methylphenyl)ethyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-propylthiophen-2-one

Basic Information

CAS Number

70131-50-9

Molecular Formula

C162H204O17S9

Molecular Weight

2712 g/mol

AD

Basic Physical Properties

Density

2.3~2.5

CCCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCC1=C(C(SC1=C)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O

InChI

InChI=1S/4C21H26O2S.2C19H22O2S.C14H20O2S.C13H18O2S.C13H18OS/c4*1-5-15(2)14-21(4)19(22)18(20(23)24-21)9-7-6-8-17-12-10-16(3)11-13-17;2*1-5-13(2)12-19(4)17(20)16(18(21)22-19)11-10-15-8-6-14(3)7-9-15;1-5-7-8-11-12(15)14(4,17-13(11)16)9-10(3)6-2;1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2;1-6-9(3)8-13(5)12(14)11(7-2)10(4)15-13/h4*5,10-14,22H,1,6-9H2,2-4H3;2*5-9,12,20H,1,10-11H2,2-4H3;6,9,15H,2,5,7-8H2,1,3-4H3;6,8,14H,2,5,7H2,1,3-4H3;6,8,14H,1,4,7H2,2-3,5H3

InChIKey

QZWDCJBBGBXHMW-UHFFFAOYSA-N

LogP

44.82161999999986

Topological Polar Surface Area

318.63 Ų

Hydrogen Bond Donor/Acceptor

9 / 17

Complexity

2180

Synonyms & References

English

  • 8007-00-9
  • 477202-00-9
  • 8024-01-9
  • 70131-50-9
  • montmorillonite K 10
  • Activated clay
  • Bleaching clay
  • Bentonite, acid-leached
  • ACTIVATED BLEACHING EARTH
  • ACTIVATED BLEACHING EARTH CS-1040
  • Sud Chemie Tonsil Optimum FF
  • bentonite acid-leached powder
  • Active clay CS-1055
  • ACETOPHENONE,2-(1-IMIDAZOLYL)-4'-PHENOXY- HCL,HYDRATE
  • ntmorillonite K 10
  • Acid earth

MDL Number

MFCD00132796

FAQ

What are the physical and chemical properties of 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one (CAS: 70131-50-9)?

3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one is a crystalline compound with a molecular weight of approximately 289.4 g/mol. It has a solubility in organic solvents like ethanol and acetone but is poorly soluble in water. This compound exhibits low reactivity under normal conditions but can undergo thermal degradation and undergo nucleophilic substitution reactions under specific conditions. It is also susceptible to photochemical decomposition.

How is 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one (CAS: 70131-50-9) typically synthesized?

3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one is typically synthesized through the condensation of 2-methylbuta-1,3-diene with 4-hydroxy-5-methylthiophen-2-one, followed by a Claisen rearrangement. This process requires the use of a base catalyst, such as sodium hydride, and is carried out under anhydrous conditions. The yield is generally around 70%, and the selectivity is favorable for the desired product.

What industries use 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one (CAS: 70131-50-9)?

3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one finds applications in the pharmaceutical industry for its potential as a precursor to drug intermediates. It is also used in the polymer industry as a stabilizer and in the production of functional polymers. Additionally, it can be used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one (CAS: 70131-50-9)?

When handling 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be contained and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.

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